[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone

Systemtic Name: [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone Openeye Name: [4-(p-tolylsulfonyl)piperazin-1-yl]-(4,5,6,7-tetrahydrobenzothiophen-3-yl)methanone CAS Name: [4-(4-methylphenyl)sulfonyl-1-piperazinyl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone IUPAC Name: [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone Traditional Name: 4,5,6,7-tetrahydrobenzothiophen-3-yl-(4-tosylpiperazino)methanone Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CSC4=C3CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CSC4=C3CCCC4

InChI

InChI=1S/C20H24N2O3S2/c1-15-6-8-16(9-7-15)27(24,25)22-12-10-21(11-13-22)20(23)18-14-26-19-5-3-2-4-17(18)19/h6-9,14H,2-5,10-13H2,1H3